AJ-292/40706561
TL;DR: AJ-292/40706561 (CAS 375362-80-4) is a chemical compound with molecular formula C23H24N2O3S2 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AJ-292/40706561, 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-methyl-3-(2-methyl-2-propenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-7-methyl-3-(2-methylallyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-methyl-3-(2-methylprop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C23H24N2O3S2 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 5.1799 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.12283 |
| Heavy Atoms | 30 |
| Complexity | 1211.3591 |
Chemical Identifiers
| CAS Number | 375362-80-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=CC5=C(C=C4)OCO5)CC(=C)C |
Product Overview
AJ-292/40706561 (CAS 375362-80-4), with molecular formula C23H24N2O3S2 and molecular weight 440.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-3-(2-methylprop-2-enyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AJ-292/40706561
Property Insights of AJ-292/40706561
The XLogP value of 5.1799 indicates that AJ-292/40706561 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, AJ-292/40706561 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40706561 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/40706561?
The CAS number of AJ-292/40706561 is 375362-80-4.
What is the molecular formula of AJ-292/40706561?
The molecular formula of AJ-292/40706561 is C23H24N2O3S2.
What is the molecular weight of AJ-292/40706561?
The molecular weight of AJ-292/40706561 is 440.12 g/mol.
Where can I buy AJ-292/40706561?
You can request a quote for AJ-292/40706561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706561?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.